# Made by: Beicer C. Tapia
# Plastoquinone (PL9) - Contains tail
# Charges:Gaussian
# 7/26/07
# Updated 2/21/08
# UPDATED 12/08/08 - ADDED AN OXIDIZED REDOX STATE
# Protein: Cytochrome b6f complex
# PDB: 1VF5

# NOTE - THIS FILE CONTAINS THE TAIL OF PLASTOQUINONE

CONFLIST PL9        PL9BK PL9DM PL901 PL9-1 

NATOM    PL9BK      115
NATOM    PL9DM      0
NATOM    PL901      20
NATOM    PL9-1      20

IATOM    PL9BK  C8  0
IATOM    PL9BK  C9  1
IATOM    PL9BK  C10 2
IATOM    PL9BK  C11 3
IATOM    PL9BK  C12 4
IATOM    PL9BK  C13 5
IATOM    PL9BK  C14 6
IATOM    PL9BK  C15 7
IATOM    PL9BK  C16 8
IATOM    PL9BK  C17 9
IATOM    PL9BK  C18 10
IATOM    PL9BK  C19 11
IATOM    PL9BK  C20 12
IATOM    PL9BK  C21 13
IATOM    PL9BK  C22 14
IATOM    PL9BK  C23 15
IATOM    PL9BK  C24 16
IATOM    PL9BK  C25 17
IATOM    PL9BK  C26 18
IATOM    PL9BK  C27 19
IATOM    PL9BK  C28 20
IATOM    PL9BK  C29 21
IATOM    PL9BK  C30 22
IATOM    PL9BK  C31 23
IATOM    PL9BK  C32 24
IATOM    PL9BK  C33 25
IATOM    PL9BK  C34 26
IATOM    PL9BK  C35 27
IATOM    PL9BK  C36 28
IATOM    PL9BK  C37 29
IATOM    PL9BK  C38 30
IATOM    PL9BK  C39 31
IATOM    PL9BK  C40 32
IATOM    PL9BK  C41 33
IATOM    PL9BK  C42 34
IATOM    PL9BK  C43 35
IATOM    PL9BK  C44 36
IATOM    PL9BK  C45 37
IATOM    PL9BK  C46 38
IATOM    PL9BK  C47 39
IATOM    PL9BK  C48 40
IATOM    PL9BK  C49 41
IATOM    PL9BK  C50 42
IATOM    PL9BK  C51 43
IATOM    PL9BK  HC8 44
IATOM    PL9BK 1H10 45
IATOM    PL9BK 2H10 46
IATOM    PL9BK 3H10 47
IATOM    PL9BK 1H11 48
IATOM    PL9BK 2H11 49
IATOM    PL9BK 1H12 50
IATOM    PL9BK 2H12 51
IATOM    PL9BK  H13 52
IATOM    PL9BK 1H15 53
IATOM    PL9BK 2H15 54
IATOM    PL9BK 3H15 55
IATOM    PL9BK 1H16 56
IATOM    PL9BK 2H16 57
IATOM    PL9BK 1H17 58
IATOM    PL9BK 2H17 59
IATOM    PL9BK  H18 60
IATOM    PL9BK 1H20 61
IATOM    PL9BK 2H20 62
IATOM    PL9BK 3H20 63
IATOM    PL9BK 1H21 64
IATOM    PL9BK 2H21 65
IATOM    PL9BK 1H22 66
IATOM    PL9BK 2H22 67
IATOM    PL9BK  H23 68
IATOM    PL9BK 1H25 69
IATOM    PL9BK 2H25 70
IATOM    PL9BK 3H25 71
IATOM    PL9BK 1H26 72
IATOM    PL9BK 2H26 73
IATOM    PL9BK 1H27 74
IATOM    PL9BK 2H27 75
IATOM    PL9BK  H28 76
IATOM    PL9BK 1H30 77
IATOM    PL9BK 2H30 78
IATOM    PL9BK 3H30 79
IATOM    PL9BK 1H31 80
IATOM    PL9BK 2H31 81
IATOM    PL9BK 1H32 82
IATOM    PL9BK 2H32 83
IATOM    PL9BK  H33 84
IATOM    PL9BK 1H35 85
IATOM    PL9BK 2H35 86
IATOM    PL9BK 3H35 87
IATOM    PL9BK 1H36 88
IATOM    PL9BK 2H36 89
IATOM    PL9BK 1H37 90
IATOM    PL9BK 2H37 91
IATOM    PL9BK  H38 92
IATOM    PL9BK 1H40 93
IATOM    PL9BK 2H40 94
IATOM    PL9BK 3H40 95
IATOM    PL9BK 1H41 96
IATOM    PL9BK 2H41 97
IATOM    PL9BK 1H42 98
IATOM    PL9BK 2H42 99
IATOM    PL9BK  H43 100
IATOM    PL9BK 1H45 101
IATOM    PL9BK 2H45 102
IATOM    PL9BK 3H45 103
IATOM    PL9BK 1H46 104
IATOM    PL9BK 2H46 105
IATOM    PL9BK 1H47 106
IATOM    PL9BK 2H47 107
IATOM    PL9BK  H48 108
IATOM    PL9BK 1H50 109
IATOM    PL9BK 2H50 110
IATOM    PL9BK 3H50 111
IATOM    PL9BK 1H51 112
IATOM    PL9BK 2H51 113
IATOM    PL9BK 3H51 114

IATOM    PL901  C2  0
IATOM    PL901  C3  1
IATOM    PL901  C4  2
IATOM    PL901  C5  3
IATOM    PL901  C6  4
IATOM    PL901  C1  5
IATOM    PL901  C7  6
IATOM    PL901  C52 7
IATOM    PL901  C53 8
IATOM    PL901  O1  9
IATOM    PL901  O2  10
IATOM    PL901 1H52 11
IATOM    PL901 2H52 12
IATOM    PL901 3H52 13
IATOM    PL901 1H53 14
IATOM    PL901 2H53 15
IATOM    PL901 3H53 16
IATOM    PL901  HC2 17
IATOM    PL901 1HC7 18
IATOM    PL901 2HC7 19

IATOM    PL9-1  C2  0
IATOM    PL9-1  C3  1
IATOM    PL9-1  C4  2
IATOM    PL9-1  C5  3
IATOM    PL9-1  C6  4
IATOM    PL9-1  C1  5
IATOM    PL9-1  C7  6
IATOM    PL9-1  C52 7
IATOM    PL9-1  C53 8
IATOM    PL9-1  O1  9
IATOM    PL9-1  O2  10
IATOM    PL9-1 1H52 11
IATOM    PL9-1 2H52 12
IATOM    PL9-1 3H52 13
IATOM    PL9-1 1H53 14
IATOM    PL9-1 2H53 15
IATOM    PL9-1 3H53 16
IATOM    PL9-1  HC2 17
IATOM    PL9-1 1HC7 18
IATOM    PL9-1 2HC7 19

ATOMNAME PL9BK    0  C8 
ATOMNAME PL9BK    1  C9 
ATOMNAME PL9BK    2  C10
ATOMNAME PL9BK    3  C11
ATOMNAME PL9BK    4  C12
ATOMNAME PL9BK    5  C13
ATOMNAME PL9BK    6  C14
ATOMNAME PL9BK    7  C15
ATOMNAME PL9BK    8  C16
ATOMNAME PL9BK    9  C17
ATOMNAME PL9BK   10  C18
ATOMNAME PL9BK   11  C19
ATOMNAME PL9BK   12  C20
ATOMNAME PL9BK   13  C21
ATOMNAME PL9BK   14  C22
ATOMNAME PL9BK   15  C23
ATOMNAME PL9BK   16  C24
ATOMNAME PL9BK   17  C25
ATOMNAME PL9BK   18  C26
ATOMNAME PL9BK   19  C27
ATOMNAME PL9BK   20  C28
ATOMNAME PL9BK   21  C29
ATOMNAME PL9BK   22  C30
ATOMNAME PL9BK   23  C31
ATOMNAME PL9BK   24  C32
ATOMNAME PL9BK   25  C33
ATOMNAME PL9BK   26  C34
ATOMNAME PL9BK   27  C35
ATOMNAME PL9BK   28  C36
ATOMNAME PL9BK   29  C37
ATOMNAME PL9BK   30  C38
ATOMNAME PL9BK   31  C39
ATOMNAME PL9BK   32  C40
ATOMNAME PL9BK   33  C41
ATOMNAME PL9BK   34  C42
ATOMNAME PL9BK   35  C43
ATOMNAME PL9BK   36  C44
ATOMNAME PL9BK   37  C45
ATOMNAME PL9BK   38  C46
ATOMNAME PL9BK   39  C47
ATOMNAME PL9BK   40  C48
ATOMNAME PL9BK   41  C49
ATOMNAME PL9BK   42  C50
ATOMNAME PL9BK   43  C51
ATOMNAME PL9BK   44  HC8
ATOMNAME PL9BK   45 1H10
ATOMNAME PL9BK   46 2H10
ATOMNAME PL9BK   47 3H10
ATOMNAME PL9BK   48 1H11
ATOMNAME PL9BK   49 2H11
ATOMNAME PL9BK   50 1H12
ATOMNAME PL9BK   51 2H12
ATOMNAME PL9BK   52  H13
ATOMNAME PL9BK   53 1H15
ATOMNAME PL9BK   54 2H15
ATOMNAME PL9BK   55 3H15
ATOMNAME PL9BK   56 1H16
ATOMNAME PL9BK   57 2H16
ATOMNAME PL9BK   58 1H17
ATOMNAME PL9BK   59 2H17
ATOMNAME PL9BK   60  H18
ATOMNAME PL9BK   61 1H20
ATOMNAME PL9BK   62 2H20
ATOMNAME PL9BK   63 3H20
ATOMNAME PL9BK   64 1H21
ATOMNAME PL9BK   65 2H21
ATOMNAME PL9BK   66 1H22
ATOMNAME PL9BK   67 2H22
ATOMNAME PL9BK   68  H23
ATOMNAME PL9BK   69 1H25
ATOMNAME PL9BK   70 2H25
ATOMNAME PL9BK   71 3H25
ATOMNAME PL9BK   72 1H26
ATOMNAME PL9BK   73 2H26
ATOMNAME PL9BK   74 1H27
ATOMNAME PL9BK   75 2H27
ATOMNAME PL9BK   76  H28
ATOMNAME PL9BK   77 1H30
ATOMNAME PL9BK   78 2H30
ATOMNAME PL9BK   79 3H30
ATOMNAME PL9BK   80 1H31
ATOMNAME PL9BK   81 2H31
ATOMNAME PL9BK   82 1H32
ATOMNAME PL9BK   83 2H32
ATOMNAME PL9BK   84  H33
ATOMNAME PL9BK   85 1H35
ATOMNAME PL9BK   86 2H35
ATOMNAME PL9BK   87 3H35
ATOMNAME PL9BK   88 1H36
ATOMNAME PL9BK   89 2H36
ATOMNAME PL9BK   90 1H37
ATOMNAME PL9BK   91 2H37
ATOMNAME PL9BK   92  H38
ATOMNAME PL9BK   93 1H40
ATOMNAME PL9BK   94 2H40
ATOMNAME PL9BK   95 3H40
ATOMNAME PL9BK   96 1H41
ATOMNAME PL9BK   97 2H41
ATOMNAME PL9BK   98 1H42
ATOMNAME PL9BK   99 2H42
ATOMNAME PL9BK  100  H43
ATOMNAME PL9BK  101 1H45
ATOMNAME PL9BK  102 2H45
ATOMNAME PL9BK  103 3H45
ATOMNAME PL9BK  104 1H46
ATOMNAME PL9BK  105 2H46
ATOMNAME PL9BK  106 1H47
ATOMNAME PL9BK  107 2H47
ATOMNAME PL9BK  108  H48
ATOMNAME PL9BK  109 1H50
ATOMNAME PL9BK  110 2H50
ATOMNAME PL9BK  111 3H50
ATOMNAME PL9BK  112 1H51
ATOMNAME PL9BK  113 2H51
ATOMNAME PL9BK  114 3H51

ATOMNAME PL901    0  C2 
ATOMNAME PL901    1  C3 
ATOMNAME PL901    2  C4 
ATOMNAME PL901    3  C5 
ATOMNAME PL901    4  C6 
ATOMNAME PL901    5  C1 
ATOMNAME PL901    6  C7 
ATOMNAME PL901    7  C52
ATOMNAME PL901    8  C53
ATOMNAME PL901    9  O1
ATOMNAME PL901   10  O2
ATOMNAME PL901   11 1H52
ATOMNAME PL901   12 2H52
ATOMNAME PL901   13 3H52
ATOMNAME PL901   14 1H53
ATOMNAME PL901   15 2H53
ATOMNAME PL901   16 3H53
ATOMNAME PL901   17  HC2
ATOMNAME PL901   18 1HC7
ATOMNAME PL901   19 2HC7

ATOMNAME PL9-1    0  C2 
ATOMNAME PL9-1    1  C3 
ATOMNAME PL9-1    2  C4 
ATOMNAME PL9-1    3  C5 
ATOMNAME PL9-1    4  C6 
ATOMNAME PL9-1    5  C1 
ATOMNAME PL9-1    6  C7 
ATOMNAME PL9-1    7  C52
ATOMNAME PL9-1    8  C53
ATOMNAME PL9-1    9  O1 
ATOMNAME PL9-1   10  O2 
ATOMNAME PL9-1   11 1H52
ATOMNAME PL9-1   12 2H52
ATOMNAME PL9-1   13 3H52
ATOMNAME PL9-1   14 1H53
ATOMNAME PL9-1   15 2H53
ATOMNAME PL9-1   16 3H53
ATOMNAME PL9-1   17  HC2
ATOMNAME PL9-1   18 1HC7
ATOMNAME PL9-1   19 2HC7

#1.Basic Conformer Information: name, pka, em, rxn.
#23456789A123456789B123456789C
PROTON   PL901      0   
PKA      PL901      0.0 
ELECTRON PL901      0   
EM       PL901      0.0 
RXN      PL901     -2.36

PROTON   PL9-1      0   
PKA      PL9-1      0.0 
ELECTRON PL9-1      0   
EM       PL9-1      0.0 
RXN      PL9-1     -16.09

#2.Structure Connectivity
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
# Plastoquinone - Tail named as backbone
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|
CONNECT  PL9BK  C8        sp2    0  C7     0  C9     0  HC8 
CONNECT  PL9BK  C9        sp2    0  C8     0  C10    0  C11 
CONNECT  PL9BK  C10       sp3    0  C9     0 1H10    0 2H10    0 3H10 
CONNECT  PL9BK  C11       sp3    0  C9     0  C12    0 1H11    0 2H11 
CONNECT  PL9BK  C12       sp3    0  C11    0  C13    0 1H12    0 2H12 
CONNECT  PL9BK  C13       sp2    0  C12    0  C14    0  H13 
CONNECT  PL9BK  C14       sp2    0  C13    0  C15    0  C16 
CONNECT  PL9BK  C15       sp3    0  C14    0 1H15    0 2H15    0 3H15 
CONNECT  PL9BK  C16       sp3    0  C14    0  C17    0 1H16    0 2H16 
CONNECT  PL9BK  C17       sp3    0  C16    0  C18    0 1H17    0 2H17 
CONNECT  PL9BK  C18       sp2    0  C17    0  C19    0  H18 
CONNECT  PL9BK  C19       sp2    0  C18    0  C20    0  C21 
CONNECT  PL9BK  C20       sp3    0  C19    0 1H20    0 2H20    0 3H20 
CONNECT  PL9BK  C21       sp3    0  C19    0  C22    0 1H21    0 2H21 
CONNECT  PL9BK  C22       sp3    0  C21    0  C23    0 1H22    0 2H22 
CONNECT  PL9BK  C23       sp2    0  C22    0  C24    0  H23 
CONNECT  PL9BK  C24       sp2    0  C23    0  C25    0  C26 
CONNECT  PL9BK  C25       sp3    0  C24    0 1H25    0 2H25    0 3H25 
CONNECT  PL9BK  C26       sp3    0  C24    0  C27    0 1H26    0 2H26 
CONNECT  PL9BK  C27       sp3    0  C26    0  C28    0 1H27    0 2H27 
CONNECT  PL9BK  C28       sp2    0  C27    0  C29    0  H28 
CONNECT  PL9BK  C29       sp2    0  C28    0  C30    0  C31 
CONNECT  PL9BK  C30       sp3    0  C29    0 1H30    0 2H30    0 3H30 
CONNECT  PL9BK  C31       sp3    0  C29    0  C32    0 1H31    0 2H31 
CONNECT  PL9BK  C32       sp3    0  C31    0  C33    0 1H32    0 2H32 
CONNECT  PL9BK  C33       sp2    0  C32    0  C34    0  H33 
CONNECT  PL9BK  C34       sp2    0  C33    0  C35    0  C36 
CONNECT  PL9BK  C35       sp3    0  C34    0 1H35    0 2H35    0 3H35 
CONNECT  PL9BK  C36       sp3    0  C34    0  C37    0 1H36    0 2H36 
CONNECT  PL9BK  C37       sp3    0  C36    0  C38    0 1H37    0 2H37 
CONNECT  PL9BK  C38       sp2    0  C37    0  C39    0  H38 
CONNECT  PL9BK  C39       sp2    0  C38    0  C40    0  C41 
CONNECT  PL9BK  C40       sp3    0  C39    0 1H40    0 2H40    0 3H40 
CONNECT  PL9BK  C41       sp3    0  C39    0  C42    0 1H41    0 2H41 
CONNECT  PL9BK  C42       sp3    0  C41    0  C43    0 1H42    0 2H42 
CONNECT  PL9BK  C43       sp2    0  C42    0  C44    0  H43 
CONNECT  PL9BK  C44       sp2    0  C43    0  C45    0  C46 
CONNECT  PL9BK  C45       sp3    0  C44    0 1H45    0 2H45    0 3H45 
CONNECT  PL9BK  C46       sp3    0  C44    0  C47    0 1H46    0 2H46 
CONNECT  PL9BK  C47       sp3    0  C46    0  C48    0 1H47    0 2H47 
CONNECT  PL9BK  C48       sp2    0  C47    0  C49    0  H48 
CONNECT  PL9BK  C49       sp2    0  C48    0  C50    0  C51 
CONNECT  PL9BK  C50       sp3    0  C49    0 1H50    0 2H50    0 3H50 
CONNECT  PL9BK  C51       sp3    0  C49    0 1H51    0 2H51    0 3H51 
CONNECT  PL9BK  HC8         s    0  C8  
CONNECT  PL9BK 1H10         s    0  C10 
CONNECT  PL9BK 2H10         s    0  C10 
CONNECT  PL9BK 3H10         s    0  C10 
CONNECT  PL9BK 1H11         s    0  C11 
CONNECT  PL9BK 2H11         s    0  C11 
CONNECT  PL9BK 1H12         s    0  C12 
CONNECT  PL9BK 2H12         s    0  C12 
CONNECT  PL9BK  H13         s    0  C13 
CONNECT  PL9BK 1H15         s    0  C15 
CONNECT  PL9BK 2H15         s    0  C15 
CONNECT  PL9BK 3H15         s    0  C15 
CONNECT  PL9BK 1H16         s    0  C16 
CONNECT  PL9BK 2H16         s    0  C16 
CONNECT  PL9BK 1H17         s    0  C17 
CONNECT  PL9BK 2H17         s    0  C17 
CONNECT  PL9BK  H18         s    0  C18 
CONNECT  PL9BK 1H20         s    0  C20 
CONNECT  PL9BK 2H20         s    0  C20 
CONNECT  PL9BK 3H20         s    0  C20 
CONNECT  PL9BK 1H21         s    0  C21 
CONNECT  PL9BK 2H21         s    0  C21 
CONNECT  PL9BK 1H22         s    0  C22 
CONNECT  PL9BK 2H22         s    0  C22 
CONNECT  PL9BK  H23         s    0  C23 
CONNECT  PL9BK 1H25         s    0  C25 
CONNECT  PL9BK 2H25         s    0  C25 
CONNECT  PL9BK 3H25         s    0  C25 
CONNECT  PL9BK 1H26         s    0  C26 
CONNECT  PL9BK 2H26         s    0  C26 
CONNECT  PL9BK 1H27         s    0  C27 
CONNECT  PL9BK 2H27         s    0  C27 
CONNECT  PL9BK  H28         s    0  C28 
CONNECT  PL9BK 1H30         s    0  C30 
CONNECT  PL9BK 2H30         s    0  C30 
CONNECT  PL9BK 3H30         s    0  C30 
CONNECT  PL9BK 1H31         s    0  C31 
CONNECT  PL9BK 2H31         s    0  C31 
CONNECT  PL9BK 1H32         s    0  C32 
CONNECT  PL9BK 2H32         s    0  C32 
CONNECT  PL9BK  H33         s    0  C33 
CONNECT  PL9BK 1H35         s    0  C35 
CONNECT  PL9BK 2H35         s    0  C35 
CONNECT  PL9BK 3H35         s    0  C35 
CONNECT  PL9BK 1H36         s    0  C36 
CONNECT  PL9BK 2H36         s    0  C36 
CONNECT  PL9BK 1H37         s    0  C37 
CONNECT  PL9BK 2H37         s    0  C37 
CONNECT  PL9BK  H38         s    0  C38 
CONNECT  PL9BK 1H40         s    0  C40 
CONNECT  PL9BK 2H40         s    0  C40 
CONNECT  PL9BK 3H40         s    0  C40 
CONNECT  PL9BK 1H41         s    0  C41 
CONNECT  PL9BK 2H41         s    0  C41 
CONNECT  PL9BK 1H42         s    0  C42 
CONNECT  PL9BK 2H42         s    0  C42 
CONNECT  PL9BK  H43         s    0  C43 
CONNECT  PL9BK 1H45         s    0  C45 
CONNECT  PL9BK 2H45         s    0  C45 
CONNECT  PL9BK 3H45         s    0  C45 
CONNECT  PL9BK 1H46         s    0  C46 
CONNECT  PL9BK 2H46         s    0  C46 
CONNECT  PL9BK 1H47         s    0  C47 
CONNECT  PL9BK 2H47         s    0  C47 
CONNECT  PL9BK  H48         s    0  C48 
CONNECT  PL9BK 1H50         s    0  C50 
CONNECT  PL9BK 2H50         s    0  C50 
CONNECT  PL9BK 3H50         s    0  C50 
CONNECT  PL9BK 1H51         s    0  C51 
CONNECT  PL9BK 2H51         s    0  C51 
CONNECT  PL9BK 3H51         s    0  C51 
# Ring only
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|
CONNECT  PL901  C2        sp2    0  C3     0  C1     0  HC2 
CONNECT  PL901  C3        sp2    0  C2     0  C4     0  C7  
CONNECT  PL901  C4        sp2    0  C3     0  C5     0  O1  
CONNECT  PL901  C5        sp2    0  C4     0  C6     0  C52 
CONNECT  PL901  C6        sp2    0  C5     0  C1     0  C53 
CONNECT  PL901  C1        sp2    0  C2     0  C6     0  O2  
CONNECT  PL901  C7        sp3    0  C3     0  C8     0 1HC7    0 2HC7 
CONNECT  PL901  C52       sp3    0  C5     0 1H52    0 2H52    0 3H52
CONNECT  PL901  C53       sp3    0  C6     0 1H53    0 2H53    0 3H53
CONNECT  PL901  O1          s    0  C4
CONNECT  PL901  O2          s    0  C1
CONNECT  PL901 1H52         s    0  C52
CONNECT  PL901 2H52         s    0  C52
CONNECT  PL901 3H52         s    0  C52
CONNECT  PL901 1H53         s    0  C53
CONNECT  PL901 2H53         s    0  C53
CONNECT  PL901 3H53         s    0  C53
CONNECT  PL901  HC2         s    0  C2
CONNECT  PL901 1HC7         s    0  C7
CONNECT  PL901 2HC7         s    0  C7
# Ring only
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|
CONNECT  PL9-1  C2        sp2    0  C3     0  C1     0  HC2 
CONNECT  PL9-1  C3        sp2    0  C2     0  C4     0  C7  
CONNECT  PL9-1  C4        sp2    0  C3     0  C5     0  O1  
CONNECT  PL9-1  C5        sp2    0  C4     0  C6     0  C52 
CONNECT  PL9-1  C6        sp2    0  C5     0  C1     0  C53 
CONNECT  PL9-1  C1        sp2    0  C2     0  C6     0  O2  
CONNECT  PL9-1  C7        sp3    0  C3     0  C8     0 1HC7    0 2HC7 
CONNECT  PL9-1  C52       sp3    0  C5     0 1H52    0 2H52    0 3H52 
CONNECT  PL9-1  C53       sp3    0  C6     0 1H53    0 2H53    0 3H53 
CONNECT  PL9-1  O1          s    0  C4  
CONNECT  PL9-1  O2          s    0  C1  
CONNECT  PL9-1 1H52         s    0  C52 
CONNECT  PL9-1 2H52         s    0  C52 
CONNECT  PL9-1 3H52         s    0  C52 
CONNECT  PL9-1 1H53         s    0  C53 
CONNECT  PL9-1 2H53         s    0  C53 
CONNECT  PL9-1 3H53         s    0  C53 
CONNECT  PL9-1  HC2         s    0  C2  
CONNECT  PL9-1 1HC7         s    0  C7  
CONNECT  PL9-1 2HC7         s    0  C7  

#3.Atom Parameters: Partial Charges and Radii
# from parseres.siz
RADIUS   PL9    C2  1.70
RADIUS   PL9    C3  1.70
RADIUS   PL9    C4  1.70
RADIUS   PL9    C5  1.70
RADIUS   PL9    C6  1.70
RADIUS   PL9    C1  1.70
RADIUS   PL9    C7  1.70
RADIUS   PL9    C52 1.70
RADIUS   PL9    C53 1.70
RADIUS   PL9    O1  1.40
RADIUS   PL9    O2  1.40
RADIUS   PL9   1H52 1.00
RADIUS   PL9   2H52 1.00
RADIUS   PL9   3H52 1.00
RADIUS   PL9   1H53 1.00
RADIUS   PL9   2H53 1.00
RADIUS   PL9   3H53 1.00
RADIUS   PL9    HC2 1.00
RADIUS   PL9   1HC7 1.00
RADIUS   PL9   2HC7 1.00
# Backbone
RADIUS   PL9    C8  1.70
RADIUS   PL9    C9  1.70
RADIUS   PL9    C10 1.70
RADIUS   PL9    C11 1.70
RADIUS   PL9    C12 1.70
RADIUS   PL9    C13 1.70
RADIUS   PL9    C14 1.70
RADIUS   PL9    C15 1.70
RADIUS   PL9    C16 1.70
RADIUS   PL9    C17 1.70
RADIUS   PL9    C18 1.70
RADIUS   PL9    C19 1.70
RADIUS   PL9    C20 1.70
RADIUS   PL9    C21 1.70
RADIUS   PL9    C22 1.70
RADIUS   PL9    C23 1.70
RADIUS   PL9    C24 1.70
RADIUS   PL9    C25 1.70
RADIUS   PL9    C26 1.70
RADIUS   PL9    C27 1.70
RADIUS   PL9    C28 1.70
RADIUS   PL9    C29 1.70
RADIUS   PL9    C30 1.70
RADIUS   PL9    C31 1.70
RADIUS   PL9    C32 1.70
RADIUS   PL9    C33 1.70
RADIUS   PL9    C34 1.70
RADIUS   PL9    C35 1.70
RADIUS   PL9    C36 1.70
RADIUS   PL9    C37 1.70
RADIUS   PL9    C38 1.70
RADIUS   PL9    C39 1.70
RADIUS   PL9    C40 1.70
RADIUS   PL9    C41 1.70
RADIUS   PL9    C42 1.70
RADIUS   PL9    C43 1.70
RADIUS   PL9    C44 1.70
RADIUS   PL9    C45 1.70
RADIUS   PL9    C46 1.70
RADIUS   PL9    C47 1.70
RADIUS   PL9    C48 1.70
RADIUS   PL9    C49 1.70
RADIUS   PL9    C50 1.70
RADIUS   PL9    C51 1.70
RADIUS   PL9    HC8 1.00
RADIUS   PL9   1H10 1.00
RADIUS   PL9   2H10 1.00
RADIUS   PL9   3H10 1.00
RADIUS   PL9   1H11 1.00
RADIUS   PL9   2H11 1.00
RADIUS   PL9   1H12 1.00
RADIUS   PL9   2H12 1.00
RADIUS   PL9    H13 1.00
RADIUS   PL9   1H15 1.00
RADIUS   PL9   2H15 1.00
RADIUS   PL9   3H15 1.00
RADIUS   PL9   1H16 1.00
RADIUS   PL9   2H16 1.00
RADIUS   PL9   1H17 1.00
RADIUS   PL9   2H17 1.00
RADIUS   PL9    H18 1.00
RADIUS   PL9   1H20 1.00
RADIUS   PL9   2H20 1.00
RADIUS   PL9   3H20 1.00
RADIUS   PL9   1H21 1.00
RADIUS   PL9   2H21 1.00
RADIUS   PL9   1H22 1.00
RADIUS   PL9   2H22 1.00
RADIUS   PL9    H23 1.00
RADIUS   PL9   1H25 1.00
RADIUS   PL9   2H25 1.00
RADIUS   PL9   3H25 1.00
RADIUS   PL9   1H26 1.00
RADIUS   PL9   2H26 1.00
RADIUS   PL9   1H27 1.00
RADIUS   PL9   2H27 1.00
RADIUS   PL9    H28 1.00
RADIUS   PL9   1H30 1.00
RADIUS   PL9   2H30 1.00
RADIUS   PL9   3H30 1.00
RADIUS   PL9   1H31 1.00
RADIUS   PL9   2H31 1.00
RADIUS   PL9   1H32 1.00
RADIUS   PL9   2H32 1.00
RADIUS   PL9    H33 1.00
RADIUS   PL9   1H35 1.00
RADIUS   PL9   2H35 1.00
RADIUS   PL9   3H35 1.00
RADIUS   PL9   1H36 1.00
RADIUS   PL9   2H36 1.00
RADIUS   PL9   1H37 1.00
RADIUS   PL9   2H37 1.00
RADIUS   PL9    H38 1.00
RADIUS   PL9   1H40 1.00
RADIUS   PL9   2H40 1.00
RADIUS   PL9   3H40 1.00
RADIUS   PL9   1H41 1.00
RADIUS   PL9   2H41 1.00
RADIUS   PL9   1H42 1.00
RADIUS   PL9   2H42 1.00
RADIUS   PL9    H43 1.00
RADIUS   PL9   1H45 1.00
RADIUS   PL9   2H45 1.00
RADIUS   PL9   3H45 1.00
RADIUS   PL9   1H46 1.00
RADIUS   PL9   2H46 1.00
RADIUS   PL9   1H47 1.00
RADIUS   PL9   2H47 1.00
RADIUS   PL9    H48 1.00
RADIUS   PL9   1H50 1.00
RADIUS   PL9   2H50 1.00
RADIUS   PL9   3H50 1.00
RADIUS   PL9   1H51 1.00
RADIUS   PL9   2H51 1.00
RADIUS   PL9   3H51 1.00

CHARGE   PL9BK  C8   0.00
CHARGE   PL9BK  C9   0.00
CHARGE   PL9BK  C10  0.00
CHARGE   PL9BK  C11  0.00
CHARGE   PL9BK  C12  0.00
CHARGE   PL9BK  C13  0.00
CHARGE   PL9BK  C14  0.00
CHARGE   PL9BK  C15  0.00
CHARGE   PL9BK  C16  0.00
CHARGE   PL9BK  C17  0.00
CHARGE   PL9BK  C18  0.00
CHARGE   PL9BK  C19  0.00
CHARGE   PL9BK  C20  0.00
CHARGE   PL9BK  C21  0.00
CHARGE   PL9BK  C22  0.00
CHARGE   PL9BK  C23  0.00
CHARGE   PL9BK  C24  0.00
CHARGE   PL9BK  C25  0.00
CHARGE   PL9BK  C26  0.00
CHARGE   PL9BK  C27  0.00
CHARGE   PL9BK  C28  0.00
CHARGE   PL9BK  C29  0.00
CHARGE   PL9BK  C30  0.00
CHARGE   PL9BK  C31  0.00
CHARGE   PL9BK  C32  0.00
CHARGE   PL9BK  C33  0.00
CHARGE   PL9BK  C34  0.00
CHARGE   PL9BK  C35  0.00
CHARGE   PL9BK  C36  0.00
CHARGE   PL9BK  C37  0.00
CHARGE   PL9BK  C38  0.00
CHARGE   PL9BK  C39  0.00
CHARGE   PL9BK  C40  0.00
CHARGE   PL9BK  C41  0.00
CHARGE   PL9BK  C42  0.00
CHARGE   PL9BK  C43  0.00
CHARGE   PL9BK  C44  0.00
CHARGE   PL9BK  C45  0.00
CHARGE   PL9BK  C46  0.00
CHARGE   PL9BK  C47  0.00
CHARGE   PL9BK  C48  0.00
CHARGE   PL9BK  C49  0.00
CHARGE   PL9BK  C50  0.00
CHARGE   PL9BK  C51  0.00
CHARGE   PL9BK  HC8  0.00
CHARGE   PL9BK 1H10  0.00
CHARGE   PL9BK 2H10  0.00
CHARGE   PL9BK 3H10  0.00
CHARGE   PL9BK 1H11  0.00
CHARGE   PL9BK 2H11  0.00
CHARGE   PL9BK 1H12  0.00
CHARGE   PL9BK 2H12  0.00
CHARGE   PL9BK  H13  0.00
CHARGE   PL9BK 1H15  0.00
CHARGE   PL9BK 2H15  0.00
CHARGE   PL9BK 3H15  0.00
CHARGE   PL9BK 1H16  0.00
CHARGE   PL9BK 2H16  0.00
CHARGE   PL9BK 1H17  0.00
CHARGE   PL9BK 2H17  0.00
CHARGE   PL9BK  H18  0.00
CHARGE   PL9BK 1H20  0.00
CHARGE   PL9BK 2H20  0.00
CHARGE   PL9BK 3H20  0.00
CHARGE   PL9BK 1H21  0.00
CHARGE   PL9BK 2H21  0.00
CHARGE   PL9BK 1H22  0.00
CHARGE   PL9BK 2H22  0.00
CHARGE   PL9BK  H23  0.00
CHARGE   PL9BK 1H25  0.00
CHARGE   PL9BK 2H25  0.00
CHARGE   PL9BK 3H25  0.00
CHARGE   PL9BK 1H26  0.00
CHARGE   PL9BK 2H26  0.00
CHARGE   PL9BK 1H27  0.00
CHARGE   PL9BK 2H27  0.00
CHARGE   PL9BK  H28  0.00
CHARGE   PL9BK 1H30  0.00
CHARGE   PL9BK 2H30  0.00
CHARGE   PL9BK 3H30  0.00
CHARGE   PL9BK 1H31  0.00
CHARGE   PL9BK 2H31  0.00
CHARGE   PL9BK 1H32  0.00
CHARGE   PL9BK 2H32  0.00
CHARGE   PL9BK  H33  0.00
CHARGE   PL9BK 1H35  0.00
CHARGE   PL9BK 2H35  0.00
CHARGE   PL9BK 3H35  0.00
CHARGE   PL9BK 1H36  0.00
CHARGE   PL9BK 2H36  0.00
CHARGE   PL9BK 1H37  0.00
CHARGE   PL9BK 2H37  0.00
CHARGE   PL9BK  H38  0.00
CHARGE   PL9BK 1H40  0.00
CHARGE   PL9BK 2H40  0.00
CHARGE   PL9BK 3H40  0.00
CHARGE   PL9BK 1H41  0.00
CHARGE   PL9BK 2H41  0.00
CHARGE   PL9BK 1H42  0.00
CHARGE   PL9BK 2H42  0.00
CHARGE   PL9BK  H43  0.00
CHARGE   PL9BK 1H45  0.00
CHARGE   PL9BK 2H45  0.00
CHARGE   PL9BK 3H45  0.00
CHARGE   PL9BK 1H46  0.00
CHARGE   PL9BK 2H46  0.00
CHARGE   PL9BK 1H47  0.00
CHARGE   PL9BK 2H47  0.00
CHARGE   PL9BK  H48  0.00
CHARGE   PL9BK 1H50  0.00
CHARGE   PL9BK 2H50  0.00
CHARGE   PL9BK 3H50  0.00
CHARGE   PL9BK 1H51  0.00
CHARGE   PL9BK 2H51  0.00
CHARGE   PL9BK 3H51  0.00

CHARGE   PL901  C2  -0.38
CHARGE   PL901  C3   0.00
CHARGE   PL901  C4   0.51
CHARGE   PL901  C5  -0.12
CHARGE   PL901  C6  -0.14 
CHARGE   PL901  C1   0.63
CHARGE   PL901  C7   0.003
CHARGE   PL901  C52  0.04
CHARGE   PL901  C53  0.04
CHARGE   PL901  O1  -0.46
CHARGE   PL901  O2  -0.50
CHARGE   PL901 1H52  0.02
CHARGE   PL901 2H52  0.02
CHARGE   PL901 3H52  0.02
CHARGE   PL901 1H53  0.027
CHARGE   PL901 2H53  0.027
CHARGE   PL901 3H53  0.027
CHARGE   PL901  HC2  0.17
CHARGE   PL901 1HC7  0.033
CHARGE   PL901 2HC7  0.033

CHARGE   PL9-1  C2  -0.46
CHARGE   PL9-1  C3   0.00
CHARGE   PL9-1  C4   0.36
CHARGE   PL9-1  C5  -0.14
CHARGE   PL9-1  C6  -0.17
CHARGE   PL9-1  C1   0.57
CHARGE   PL9-1  C7   0.07
CHARGE   PL9-1  C52  0.16
CHARGE   PL9-1  C53  0.09
CHARGE   PL9-1  O1  -0.63
CHARGE   PL9-1  O2  -0.70
CHARGE   PL9-1 1H52 -0.04
CHARGE   PL9-1 2H52 -0.04
CHARGE   PL9-1 3H52 -0.05
CHARGE   PL9-1 1H53 -0.03
CHARGE   PL9-1 2H53 -0.03
CHARGE   PL9-1 3H53 -0.01
CHARGE   PL9-1  HC2  0.13
CHARGE   PL9-1 1HC7 -0.04
CHARGE   PL9-1 2HC7 -0.04

TORSION  PL9BK 1H10  C10  C9   C8   f        0.0         3      0.00
TORSION  PL9BK 1H15  C15  C14  C13  f        0.0         3      0.00
TORSION  PL9BK 1H20  C20  C19  C18  f        0.0         3      0.00
TORSION  PL9BK 1H25  C25  C24  C23  f        0.0         3      0.00
TORSION  PL9BK 1H30  C30  C29  C28  f        0.0         3      0.00
TORSION  PL9BK 1H35  C35  C34  C33  f        0.0         3      0.00
TORSION  PL9BK 1H40  C40  C39  C38  f        0.0         3      0.00
TORSION  PL9BK 1H45  C45  C44  C43  f        0.0         3      0.00
TORSION  PL9BK 1H50  C50  C49  C48  f        0.0         3      0.00
TORSION  PL9BK 1H51  C51  C49  C48  f        0.0         3      0.00
TORSION  PL901 1H52  C52  C5   C4   f        0.0         3      0.00
TORSION  PL901 1H53  C53  C6   C5   f        0.0         3      0.00

TORSION  PL9-1 1H52  C52  C5   C4   f        0.0         3      0.00
TORSION  PL9-1 1H53  C53  C6   C5   f        0.0         3      0.00
